Basic information
- Standard SMILES
C[C@@H]1CCCN1CCCOc1cnc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2CC1CC1- InChIKey
OHFGMWAGLHQDOJ-GOSISDBHSA-N- Molecular formula
- C25H34F2N4O2
- Average molar mass
- 460.6 g/mol
Names & identifiers
- Preferred name
- {1-Cyclopropylmethyl-5-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl}-(4,4-difluoro-piperidin-1-yl)-methanone
- IUPAC
- [1-(cyclopropylmethyl)-5-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]pyrrolo[2,3-b]pyridin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
Names & synonyms
{1-Cyclopropylmethyl-5-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl}-(4,4-difluoro-piperidin-1-yl)-methanoneSCHEMBL2875201
Database identifiers
- PubChem CID
- 68424265
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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